N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

C25H29N5O2 — CID 92638162

IUPACN-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C25H29N5O2/c1-18-27-16-23(25(31)29-21-5-7-22(32-2)8-6-21)24(28-18)14-19-9-12-30(13-10-19)17-20-4-3-11-26-15-20/h3-8,11,15-16,19H,9-10,12-14,17H2,1-2H3,(H,29,31)
InChIKeyQTUNKYJHJZIGKW-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.90
Rot. Bonds7

About N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide

N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 92638162) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
PubChem CID92638162
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC NameN-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1
InChIInChI=1S/C25H29N5O2/c1-18-27-16-23(25(31)29-21-5-7-22(32-2)8-6-21)24(28-18)14-19-9-12-30(13-10-19)17-20-4-3-11-26-15-20/h3-8,11,15-16,19H,9-10,12-14,17H2,1-2H3,(H,29,31)
InChIKeyQTUNKYJHJZIGKW-UHFFFAOYSA-N
XLogP3.90
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide (CID 92638162) is N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccnc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is QTUNKYJHJZIGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-18-27-16-23(25(31)29-21-5-7-22(32-2)8-6-21)24(28-18)14-19-9-12-30(13-10-19)17-20-4-3-11-26-15-20/h3-8,11,15-16,19H,9-10,12-14,17H2,1-2H3,(H,29,31).
What are the key properties of N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 92638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).